Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1765856 | 0.72 | CYP3A4 (0.39) | PARP1ELANETDP1ALDH1A1HSD17B10 | |
| SCHEMBL11270034 | 0.70 | MAPT (0.48) | ALDH1A1CYP3A4TSHRKDM4EMAPT | |
| SCHEMBL1014701 | 0.68 | GPR3 (0.48) | PARP1TDP1ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6265298 | 0.67 | GPR3 (0.46) | PARP1TDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL28882668 | 0.66 | CYP3A4 (0.33) | PARP1TDP1ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL7904543 | 0.65 | PARP1 (0.53) | PARP1ELANETDP1ALDH1A1HSD17B10 | |
| SCHEMBL2008423 | 0.64 | ALDH1A1 (0.50) | TDP1ALDH1A1HSD17B10CYP3A4HPGD | |
| SCHEMBL4703357 | 0.63 | — | — | |
| SCHEMBL29405609 | 0.63 | GPR3 (0.58) | PARP1TDP1ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL1869262 | 0.62 | MAPT (0.39) | PARP1TDP1ALDH1A1CYP3A4HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6201119-B1 | 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-03-13 | — | — | US | disclosed |
| EP-0417840-B1 | Antiviral tetrahydroimidazo [1,4]-benzodiazepines | JANSSEN PHARMACEUTICA NV (BE) | 1994-12-07 | — | — | EP | disclosed |
| US-5371079-A | Administering to inhibit replication of HIV-1 in human cells | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-12-06 | — | — | US | disclosed |
| US-5270464-A | Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-12-14 | — | — | US | disclosed |
| EP-0491751-A1 | ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-07-01 | — | — | EP | disclosed |
| WO-1991004255-A1 | ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-04-04 | — | — | WO | disclosed |
| EP-0417840-A1 | Antiviral tetrahydroimidazo [1,4]-benzodiazepines | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-03-20 | — | — | EP | disclosed |